5-(Phenylmethylene)-2-thioxo-4-imidazolidinone
TL;DR: 5-(Phenylmethylene)-2-thioxo-4-imidazolidinone (CAS 95474-44-5) is a chemical compound with molecular formula C10H8N2OS and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one
Also Known As: 5-Benzylidene-2-thiohydantoin, 5-benzal-2-thiohydantoin, 5-Benzal-2-thlohydantoin, 5-Benzylidene-2-thioguidanthion, 5-(Benzylidene)thiohydantoin
| Molecular Formula | C10H8N2OS |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.03574 |
| Heavy Atoms | 14 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 95474-44-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N2 |
| InChIKey | YXMBDTHHYFCMKP-SOFGYWHQSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Phenylmethylene)-2-thioxo-4-imidazolidinone (CAS 95474-44-5), with molecular formula C10H8N2OS and molecular weight 204.04 g/mol. IUPAC: (5E)-5-benzylidene-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 5-(Phenylmethylene)-2-thioxo-4-imidazolidinone
Property Insights of 5-(Phenylmethylene)-2-thioxo-4-imidazolidinone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Phenylmethylene)-2-thioxo-4-imidazolidinone. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Phenylmethylene)-2-thioxo-4-imidazolidinone. Following Lipinski's Rule of Five, 5-(Phenylmethylene)-2-thioxo-4-imidazolidinone has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(Phenylmethylene)-2-thioxo-4-imidazolidinone?
The CAS number of 5-(Phenylmethylene)-2-thioxo-4-imidazolidinone is 95474-44-5.
What is the molecular formula of 5-(Phenylmethylene)-2-thioxo-4-imidazolidinone?
The molecular formula of 5-(Phenylmethylene)-2-thioxo-4-imidazolidinone is C10H8N2OS.
What is the molecular weight of 5-(Phenylmethylene)-2-thioxo-4-imidazolidinone?
The molecular weight of 5-(Phenylmethylene)-2-thioxo-4-imidazolidinone is 204.04 g/mol.
Where can I buy 5-(Phenylmethylene)-2-thioxo-4-imidazolidinone?
You can request a quote for 5-(Phenylmethylene)-2-thioxo-4-imidazolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Phenylmethylene)-2-thioxo-4-imidazolidinone?
Yes, KEHONG BIO provides custom synthesis services for 5-(Phenylmethylene)-2-thioxo-4-imidazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.